1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol

C28H25N3OS — CID 167756896

IUPAC1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H25N3OS/c32-26(23-15-13-22(14-16-23)21-8-3-1-4-9-21)19-29-18-24-20-31(25-10-5-2-6-11-25)30-28(24)27-12-7-17-33-27/h1-17,20,26,29,32H,18-19H2
InChIKeyPSVYXRFZAJKXJJ-UHFFFAOYSA-N
MW451.60 g/mol
LogP6.09
Rot. Bonds8

About 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol

1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol (PubChem CID 167756896) has the molecular formula C28H25N3OS and a molecular weight of 451.60 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
PubChem CID167756896
Molecular FormulaC28H25N3OS
Molecular Weight451.60 g/mol
Exact Mass451.17
IUPAC Name1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H25N3OS/c32-26(23-15-13-22(14-16-23)21-8-3-1-4-9-21)19-29-18-24-20-31(25-10-5-2-6-11-25)30-28(24)27-12-7-17-33-27/h1-17,20,26,29,32H,18-19H2
InChIKeyPSVYXRFZAJKXJJ-UHFFFAOYSA-N
XLogP6.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
1-(2-chlorophenyl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine
CID 20886134
2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 112796140
3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111436843
N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119689520
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
3-methoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
CID 6623412
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
CID 142893891
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24548715
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 30961231

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol (CID 167756896) is 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol is OC(CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is PSVYXRFZAJKXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3OS/c32-26(23-15-13-22(14-16-23)21-8-3-1-4-9-21)19-29-18-24-20-31(25-10-5-2-6-11-25)30-28(24)27-12-7-17-33-27/h1-17,20,26,29,32H,18-19H2.
What are the key properties of 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol?
1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 451.60 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 167756896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).